2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H30N4O2 — CID 72892219

IUPAC2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnn(CC(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)c1
InChIInChI=1S/C20H30N4O2/c1-16-12-21-23(13-16)14-19(26)22-10-8-20(9-11-22)7-6-18(25)24(15-20)17-4-2-3-5-17/h12-13,17H,2-11,14-15H2,1H3
InChIKeyAOUIRBXPMGSECK-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.37
Rot. Bonds3

About 2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72892219) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72892219
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnn(CC(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)c1
InChIInChI=1S/C20H30N4O2/c1-16-12-21-23(13-16)14-19(26)22-10-8-20(9-11-22)7-6-18(25)24(15-20)17-4-2-3-5-17/h12-13,17H,2-11,14-15H2,1H3
InChIKeyAOUIRBXPMGSECK-UHFFFAOYSA-N
XLogP2.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72892219) is 2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnn(CC(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)c1.
What is the InChIKey of 2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AOUIRBXPMGSECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-16-12-21-23(13-16)14-19(26)22-10-8-20(9-11-22)7-6-18(25)24(15-20)17-4-2-3-5-17/h12-13,17H,2-11,14-15H2,1H3.
What are the key properties of 2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.49 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-9-[2-(4-methylpyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72892219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).